Exact Mass: 534.1321818

Exact Mass Matches: 534.1321818

Found 229 metabolites which its exact mass value is equals to given mass value 534.1321818, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

CERCOSPORIN

Cercosporin from Cercospora hayii

C29H26O10 (534.1525896)

An organic heterohexacyclic compound that is perylo[1,12-def][1,3]dioxepine-6,11-dione substituted by hydroxy groups at positions 5 and 12, by methoxy groups at positions 7 and 10, and by 2-hydroxypropyl groups at positions 8 and 9 (the R,R-stereoisomer). It is a phytotoxin which was first isolated from the pathogenic soybean fungus, Cercospora kikuchii and later found in multiple members of the genus Cercospora. CONFIDENCE isolated standard

Luteolin 7-malonylglucoside

3-{[(2R,3S,4S,5R,6S)-6-{[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-4H-chromen-7-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methoxy}-3-oxopropanoic acid

C24H22O14 (534.1009512)

Luteolin 7-malonylglucoside, also known as luteolin 7-O-B-D-(6-O-malonyl) glucopyranoside, is a member of the class of compounds known as flavonoid-7-o-glycosides. Flavonoid-7-o-glycosides are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C7-position. Luteolin 7-malonylglucoside is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Luteolin 7-malonylglucoside can be found in celery leaves, globe artichoke, and wild celery, which makes luteolin 7-malonylglucoside a potential biomarker for the consumption of these food products.

Dalpanin

3- [ 2,3-Dihydro-6-hydroxy-2- (1-hydroxy-1-methylethyl) benzofuran-5-yl ] -8- (beta-D-glucopyranosyl) -2,3-dihydro-5,7-dihydroxy-4H-1-benzopyran-4-one

C26H30O12 (534.173718)

Aprepitant

3-(((2R,3S)-3-(p-Fluorophenyl)-2-(((alphar)-alpha-methyl-3,5-bis(trifluoromethyl)benzyl)oxy)morpholino)methyl)-Delta(2)-1,2,4-triazolin-5-one

C23H21F7N4O3 (534.15018)

Aprepitant, an antiemetic, is a substance P/neurokinin 1 (NK1) receptor antagonist which, in combination with other antiemetic agents, is indicated for the prevention of acute and delayed nausea and vomiting associated with initial and repeat courses of highly emetogenic cancer chemotherapy. Aprepitant is a selective high-affinity antagonist of human substance P/neurokinin 1 (NK1) receptors. Aprepitant has little or no affinity for serotonin (5-HT3), dopamine, and corticosteroid receptors, the targets of existing therapies for chemotherapy-induced nausea and vomiting (CI NV). A - Alimentary tract and metabolism > A04 - Antiemetics and antinauseants > A04A - Antiemetics and antinauseants D018377 - Neurotransmitter Agents > D064729 - Neurokinin-1 Receptor Antagonists D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents C78272 - Agent Affecting Nervous System > C267 - Antiemetic Agent D005765 - Gastrointestinal Agents > D000932 - Antiemetics D002491 - Central Nervous System Agents Aprepitant (MK-0869) is a selective and high-affinity neurokinin 1 receptor antagonist with a Kd of 86 pM.

4',5-Dihydroxy-3,3'-dimethoxy-6,7-methylenedioxyflavone 4'-glucuronide

3,4,5-trihydroxy-6-(4-{9-hydroxy-7-methoxy-8-oxo-2H,8H-[1,3]dioxolo[4,5-g]chromen-6-yl}-2-methoxyphenoxy)oxane-2-carboxylic acid

C24H22O14 (534.1009512)

4,5-Dihydroxy-3,3-dimethoxy-6,7-methylenedioxyflavone 4-glucuronide is found in green vegetables. 4,5-Dihydroxy-3,3-dimethoxy-6,7-methylenedioxyflavone 4-glucuronide is isolated from spinach (Spinacia oleracea). Isolated from spinach (Spinacia oleracea). 4,5-Dihydroxy-3,3-dimethoxy-6,7-methylenedioxyflavone 4-glucuronide is found in green vegetables and spinach.

2'-Hydroxygenistein 7-(6'-malonylglucoside)

3-[(6-{[3-(2,4-dihydroxyphenyl)-5-hydroxy-4-oxo-4H-chromen-7-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methoxy]-3-oxopropanoic acid

C24H22O14 (534.1009512)

2-Hydroxygenistein 7-(6-malonylglucoside) is found in pulses. 2-Hydroxygenistein 7-(6-malonylglucoside) is isolated from the roots of Lupinius albus (white lupin). Isolated from the roots of Lupinius albus (white lupin). 2-Hydroxygenistein 7-(6-malonylglucoside) is found in pulses and white lupine.

3,5-Dihydroxy-3',4'-dimethoxy-6,7-methylenedioxyflavone 3-glucuronide

6-{[6-(3,4-dimethoxyphenyl)-9-hydroxy-8-oxo-2H,8H-[1,3]dioxolo[4,5-g]chromen-7-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

C24H22O14 (534.1009512)

3,5-Dihydroxy-3,4-dimethoxy-6,7-methylenedioxyflavone 3-glucuronide is found in green vegetables. 3,5-Dihydroxy-3,4-dimethoxy-6,7-methylenedioxyflavone 3-glucuronide is a constituent of spinach.

6'-Malonylastragalin

3-[(6-{[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methoxy]-3-oxopropanoic acid

C24H22O14 (534.1009512)

6-Malonylastragalin is found in pear. 6-Malonylastragalin is a constituent of Cicer sp. and pears. Constituent of Cicer species and pears. 6-Malonylastragalin is found in pomes, pulses, and pear.

Ceftobiprole

7-{[1-hydroxy-2-(hydroxyimino)-2-(5-imino-4,5-dihydro-1,2,4-thiadiazol-3-yl)ethylidene]amino}-8-oxo-3-({2-oxo-[1,3-bipyrrolidine]-3-ylidene}methyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

C20H22N8O6S2 (534.1103672)

Delamanid

1-[4-({2-methyl-6-nitro-2H,3H-imidazo[2,1-b][1,3]oxazol-2-yl}methoxy)phenyl]-4-[4-(trifluoromethoxy)phenoxy]piperidine

C25H25F3N4O6 (534.1726106)

ent-Aprepitant

3-[(2-{1-[3,5-bis(trifluoromethyl)phenyl]ethoxy}-3-(4-fluorophenyl)morpholin-4-yl)methyl]-4,5-dihydro-1H-1,2,4-triazol-5-one

C23H21F7N4O3 (534.15018)

Rocepafant

9-(2-chlorophenyl)-N-(4-methoxyphenyl)-3-methyl-17-thia-2,4,5,8,14-pentaazatetracyclo[8.7.0.0^{2,6}.0^{11,16}]heptadeca-1(10),3,5,8,11(16)-pentaene-14-carbothioamide

C26H23ClN6OS2 (534.1063218)

C78275 - Agent Affecting Blood or Body Fluid > C1327 - Antiplatelet Agent D006401 - Hematologic Agents > D010975 - Platelet Aggregation Inhibitors

Ruberythric acid

1-hydroxy-2-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxan-2-yl)oxy]-9,10-dihydroanthracene-9,10-dione